Molecular structures and electronic transitions of 3,6-diphenyl-1,2-dithiin and its radical cation: a spectroelectrochemical and DFT study.

One-electron oxidation of 3,6-diphenyl-1,2-dithiin yields the corresponding radical cation. The product is stable at low temperatures and can be distinguished by a triplet EPR signal. Cyclic voltammetric, UV-vis spectroelectrochemical, and DFT studies were performed to elucidate its molecular structure and electronic properties.